Ligand-Receptor Affinities Computed by an Adapted Linear Interaction Model for Continuum Electrostatics and by Protein Conformational Averaging.
Ariane Nunes-AlvesGuilherme Menegon ArantesPublished in: J. Chem. Inf. Model. (2014)
Keyphrases
- interaction model
- drug discovery
- protein folding
- drug design
- virtual screening
- virtual environment
- user interface
- protein sequences
- pairwise
- protein structure
- protein structure prediction
- experimentally determined
- coarse grained
- mixed initiative
- protein protein interactions
- amino acids
- protein protein
- domain knowledge
- cooperative